3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]propanamide hydrochloride

Systemtic Name: 3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]propanamide hydrochloride Openeye Name: 3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolyl]propanamide hydrochloride CAS Name: 3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolinyl]propanamide hydrochloride IUPAC Name: 3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-6-yl]propanamide hydrochloride Traditional Name: 3-[3-(aminomethyl)-4-butoxy-1-keto-2-neopentyl-6-isoquinolyl]propionamide hydrochloride Formula: C22H34ClN3O3 MolecularWeight: 423.97666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CCC(=O)N)CC(C)(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CCC(=O)N)CC(C)(C)C)CN.Cl

InChI

InChI=1S/C22H33N3O3.ClH/c1-5-6-11-28-20-17-12-15(8-10-19(24)26)7-9-16(17)21(27)25(18(20)13-23)14-22(2,3)4;/h7,9,12H,5-6,8,10-11,13-14,23H2,1-4H3,(H2,24,26);1H